Modeling the melting temperature of nanoscaled bimetallic alloys (Englisch)
- Neue Suche nach: Li, Ming
- Neue Suche nach: Li, Ming
- Neue Suche nach: Zhu, Tian-Shu
In:
Physical chemistry, chemical physics
;
18
, 25
; 16958-16963
;
2016
-
ISSN:
- Aufsatz (Zeitschrift) / Print
-
Titel:Modeling the melting temperature of nanoscaled bimetallic alloys
-
Beteiligte:Li, Ming ( Autor:in ) / Zhu, Tian-Shu
-
Erschienen in:Physical chemistry, chemical physics ; 18, 25 ; 16958-16963
-
Verlag:
- Neue Suche nach: The Royal Soc. of Chemistry
-
Erscheinungsort:Cambridge
-
Erscheinungsdatum:2016
-
ISSN:
-
ZDBID:
-
DOI:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Print
-
Sprache:Englisch
- Neue Suche nach: 35.10
- Weitere Informationen zu Basisklassifikation
-
Schlagwörter:
-
Klassifikation:
-
Datenquelle:
Inhaltsverzeichnis – Band 18, Ausgabe 25
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 167
-
Structure of cobalt protoporphyrin chloride and its dimer, observation and DFT modelingElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02304ede la Lande, Aurélien et al. | 2016
- 17010
-
Atomic structure and thermal stability of Pt–Fe bimetallic nanoparticles: from alloy to core/shell architecturesHuang, Rao / Wen, Yu-Hua / Shao, Gui-Fang / Sun, Shi-Gang et al. | 2016
- 1669
-
Compensation effects and relation between the activation energy of spin transition and the hysteresis loop width for an iron(ii) complexElectronic supplementary information (ESI) available: Selected DSC data, details of estimating activation energies, X-ray powder diffraction data, far-IR spectra of the phase 1A/LS, kinetic data. See DOI: 10.1039/c6cp01892kBushuev, Mark B et al. | 2016
- 1673
-
Internal electric fields in small water clusters [(H2O)n; n = 2-6]Electronic supplementary information (ESI) available: List of stabilization energies, total and average electric fields, and unscaled vibrational frequencies of free and hydrogen bonded O-H for all the water clusters. Additionally, comparison of stabilization energies at MP2 and B3LYP levels is shown for the entire dataset of all the water clusters. See DOI: 10.1039/c6cp02803aSen, Saumik et al. | 2016
- 1679
-
Anisotropic thermal transport in Weyl semimetal TaAs: a first principles calculationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02935cOuyang, Tao et al. | 2016
- 1682
-
Photoisomerization of azobenzenes isolated in cryogenic matricesElectronic supplementary information (ESI) available: Structures of DAB isomeric forms, UV-Vis spectra, relative energies, experimental and theoretical wavenumbers and IR intensities. See DOI: 10.1039/c6cp02583hDuarte, Luís et al. | 2016
- 1683
-
Assessing covalency in equatorial U-N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranylElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp01273fDi Pietro, Poppy et al. | 2016
- 1684
-
Formation mechanism of ultra porous framework materialsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02764dFayon, Pierre et al. | 2016
- 1687
-
A first-principles study of the diffusion coefficients of alloying elements in dilute α-Ti alloysElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp01899hXu, W. W et al. | 2016
- 1689
-
Biophysical insights into the membrane interaction of the core amyloid-forming Aβ40 fragment K16-K28 and its role in the pathogenesis of Alzheimer's diseaseElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02023bBera, Swapna et al. | 2016
- 16902
-
Atomic scale mobility of the volatile fission products Xe, Kr and I in cubic SiCCooper, M. W. D. / Kelly, S. / Bertolus, M. et al. | 2016
- 1693
-
Redox chemistry of a binary transition metal oxide (AB2O4): a study of the Cu2+/Cu0 and Fe3+/Fe0 interconversions observed upon lithiation in a CuFe2O4 battery using X-ray absorption spectroscopyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02974dCama, Christina A et al. | 2016
- 1695
-
D-A-D-π-D-A-D type diketopyrrolopyrrole based small molecule electron donors for bulk heterojunction organic solar cellsElectronic supplementary information (ESI) available: Text, figures, and tables giving general experimental methods, and 1H, 13C, and mass spectra of new compounds. See DOI: 10.1039/c6cp02700hPatil, Yuvraj et al. | 2016
- 1715
-
Photosensitized reactions initiated by 6-carboxypterin: singlet and triplet reactivityElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03119fTinel, L et al. | 2016
- 1718
-
Dynamics of effusive and diffusive gas separation on pillared grapheneElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02392dWeso owski, Rados aw P et al. | 2016
- 17029
-
Single-layer cadmium chalcogenides: promising visible-light driven photocatalysts for water splittingWang, Jiajun / Meng, Jie / Li, Qunxiang / Yang, Jinlong et al. | 2016
- 17037
-
Identification of multiple conformers of the ionic liquid [emim][tf2n] in the gas phase using IR/UV action spectroscopyBooth, Ryan S. / Annesley, Christopher J. / Young, Justin W. / Vogelhuber, Kristen M. / Boatz, Jerry A. / Stearns, Jaime A. et al. | 2016
- 1744
-
Ultrafast dynamics of uracil and thymine studied using a sub-10 fs deep ultraviolet laserElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07861jXue, Bing et al. | 2016
- 17054
-
Imaging the photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg statesMarggi Poullain, Sonia / Chicharro, David V. / Zanchet, Alexandre / González, Marta G. / Rubio-Lago, Lui / Senent, María L. / García-Vela, Alberto / Bañares, Lui et al. | 2016
- 16597
-
Front cover| 2016
- 16598
-
Inside front cover| 2016
- 16599
-
Contents list| 2016
- 16615
-
CuSbS2: a promising semiconductor photo-absorber material for quantum dot sensitized solar cellsLiu, Zhifeng / Huang, Jiajun / Han, Jianhuan / Hong, Tiantian / Zhang, Jing / Liu, Zhihua et al. | 2016
- 16621
-
Ambient pressure XPS and IRRAS investigation of ethanol steam reforming on Ni–CeO2(111) catalysts: an in situ study of C–C and O–H bond scissionLiu, Zongyuan / Duchoň, Tomáš / Wang, Huanru / Grinter, David C. / Waluyo, Iradwikanari / Zhou, Jing / Liu, Qiang / Jeong, Beomgyun / Crumlin, Ethan J. / Matolín, Vladimír et al. | 2016
- 16629
-
Self-assembled systems of water soluble metal 8-hydroxyquinolates with surfactants and conjugated polyelectrolytesBurrows, Hugh D. / Costa, Telma / Ramos, M. Luisa / Valente, Artur J. M. / Stewart, Beverly / Justino, Licinia L. G. / Almeida, Aline I. A. / Catarina, Nathanny Lessa / Mallavia, Ricardo / Knaapila, Matti et al. | 2016
- 16641
-
Strain-induced growth of oriented graphene layers revealed by in situ transmission electron microscopy observationWan, Neng / Pan, Wei / Lin, Tao et al. | 2016
- 16647
-
Glass transition dynamics and cooperativity length of poly(ethylene 2,5-furandicarboxylate) compared to poly(ethylene terephthalate)Codou, Amandine / Moncel, Matthieu / van Berkel, Jesper Gabriël / Guigo, Nathanaël / Sbirrazzuoli, Nicola et al. | 2016
- 16659
-
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociationBao, Junwei Luca / Zhang, Xin / Truhlar, Donald G. et al. | 2016
- 16671
-
X-Ray absorption spectra of microsolvated metal cationsMiteva, T. / Wenzel, J. / Klaiman, S. / Dreuw, A. / Gokhberg, K. et al. | 2016
- 16682
-
Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopyDomingos, Sérgio R. / Pérez, Cristóbal / Medcraft, Chri / Pinacho, Pablo / Schnell, Melanie et al. | 2016
- 16690
-
Compensation effects and relation between the activation energy of spin transition and the hysteresis loop width for an iron(ii) complexBushuev, Mark B. / Pishchur, Denis P. / Nikolaenkova, Elena B. / Krivopalov, Viktor P. et al. | 2016
- 16700
-
Structure of cobalt protoporphyrin chloride and its dimer, observation and DFT modelingde la Lande, Aurélien / Ha-Thi, Minh-Huong / Chen, Shufeng / Soep, Benoît / Shafizadeh, Niloufar et al. | 2016
- 16709
-
Anisotropic thermal transport in Weyl semimetal TaAs: a first principles calculationOuyang, Tao / Xiao, Huaping / Tang, Chao / Hu, Ming / Zhong, Jianxin et al. | 2016
- 16715
-
Comb-assisted cavity ring-down spectroscopy of a buffer-gas-cooled molecular beamSantamaria, Luigi / Sarno, Valentina Di / Natale, Paolo De / Rosa, Maurizio De / Inguscio, Massimo / Mosca, Simona / Ricciardi, Iolanda / Calonico, Davide / Levi, Filippo / Maddaloni, Pasquale et al. | 2016
- 16721
-
The role of the environment in the ion induced fragmentation of uracilMarkush, Pal / Bolognesi, Paola / Cartoni, Antonella / Rousseau, Patrick / Maclot, Sylvain / Delaunay, Rudy / Domaracka, Alicja / Kocisek, Jaroslav / Castrovilli, Mattea C. / Huber, Bernd A. et al. | 2016
- 16730
-
Internal electric fields in small water clusters [(H2O)n; n = 2–6]Sen, Saumik / Boda, Manjusha / Venkat Lata, S. / Naresh Patwari, G. et al. | 2016
- 16738
-
Molecular and mesoscale mechanism for hierarchical self-assembly of dipeptide and porphyrin light-harvesting systemLiu, Kai / Kang, Yu / Ma, Guanghui / Möhwald, Helmuth / Yan, Xuehai et al. | 2016
- 16748
-
Asn47 and Phe114 modulate the inner sphere reorganization energies of type zero copper proteinsSadhu, Biswajit / Sundararajan, Mahesh et al. | 2016
- 16757
-
Diels–Alder attachment of a planar organic molecule to a dangling bond dimer on a hydrogenated semiconductor surfaceGodlewski, Szymon / Kawai, Hiroyo / Engelund, Mad / Kolmer, Marek / Zuzak, Rafal / Garcia-Lekue, Aran / Novell-Leruth, Gerard / Echavarren, Antonio M. / Sanchez-Portal, Daniel / Joachim, Christian et al. | 2016
- 16766
-
Imaging fluorescence correlation spectroscopy studies of dye diffusion in self-assembled organic nanotubesXu, Hao / Nagasaka, Shinobu / Kameta, Naohiro / Masuda, Mitsutoshi / Ito, Takashi / Higgins, Daniel A. et al. | 2016
- 16775
-
Synthesis of eucalyptus/tea tree oil absorbed biphasic calcium phosphate–PVDF polymer nanocomposite films: a surface active antimicrobial system for biomedical applicationBagchi, Biswajoy / Banerjee, Somtirtha / Kool, Arpan / Thakur, Pradip / Bhandary, Suman / Hoque, Nur Amin / Das, Sukhen et al. | 2016
- 16786
-
Characterization of La1−xSrxMnO3 perovskite catalysts for hydrogen peroxide reductionYunphuttha, C. / Porntheeraphat, S. / Wongchaisuwat, A. / Tangbunsuk, S. / Marr, D. W. M. / Viravathana, P. et al. | 2016
- 16794
-
Thermal boundary conductance enhancement using experimentally achievable nanostructured interfaces – analytical study combined with molecular dynamics simulationLee, Eungkyu / Zhang, Teng / Hu, Ming / Luo, Tengfei et al. | 2016
- 16802
-
Photoisomerization of azobenzenes isolated in cryogenic matricesDuarte, Luí / Khriachtchev, Leonid / Fausto, Rui / Reva, Igor et al. | 2016
- 16812
-
Saccharide-induced modulation of photoluminescence lifetime in microgelsDenisov, S. A. / Pinaud, F. / Chambaud, M. / Lapeyre, V. / Catargi, B. / Sojic, N. / McClenaghan, N. D. / Ravaine, V. et al. | 2016
- 16822
-
Thermomechanical coupling in coarse grained cholesteric liquid crystal model systems with pitches of realistic lengthSarman, Sten / Wang, Yong-Lei / Laaksonen, Aatto et al. | 2016
- 16830
-
Assessing covalency in equatorial U–N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranylDi Pietro, Poppy / Kerridge, Andrew et al. | 2016
- 16840
-
Formation mechanism of ultra porous framework materialsFayon, Pierre / Trewin, Abbie et al. | 2016
- 16848
-
Manganese doped-iron oxide nanoparticle clusters and their potential as agents for magnetic resonance imaging and hyperthermiaCasula, Maria F. / Conca, Erika / Bakaimi, Ioanna / Sathya, Ayyappan / Materia, Maria Elena / Casu, Alberto / Falqui, Andrea / Sogne, Elisa / Pellegrino, Teresa / Kanaras, Antonios G. et al. | 2016
- 16856
-
Composition-dependent metallic glass alloys correlate atomic mobility with collective glass surface dynamicsNguyen, Duc / Zhu, Zhi-Guang / Pringle, Brian / Lyding, Joseph / Wang, Wei-Hua / Gruebele, Martin et al. | 2016
- 16862
-
Understanding divergent behaviors in the photocatalytic hydrogen evolution reaction on CdS and ZnS: a DFT based studyZhou, Zhaohui / Han, Fengshuang / Guo, Liejin / Prezhdo, Oleg V. et al. | 2016
- 16870
-
A first-principles study of the diffusion coefficients of alloying elements in dilute α-Ti alloysXu, W. W. / Shang, S. L. / Zhou, B. C. / Wang, Y. / Chen, L. J. / Wang, C. P. / Liu, X. J. / Liu, Z. K. et al. | 2016
- 16870
-
A first-principles study of the diffusion coefficients of alloying elements in dilute a-Ti alloysXu, W. W. / Shang, S. L. / Zhou, B. C. / Wang, Y. / Chen, L. J. / Wang, C. P. / Liu, X. J. / Liu, Z. K. et al. | 2016
- 16882
-
The modulation of Schottky barriers of metal–MoS2 contacts via BN–MoS2 heterostructuresSu, Jie / Feng, Liping / Zhang, Yan / Liu, Zhengtang et al. | 2016
- 16890
-
Biophysical insights into the membrane interaction of the core amyloid-forming Aβ40 fragment K16–K28 and its role in the pathogenesis of Alzheimer's diseaseBera, Swapna / Korshavn, Kyle J. / Kar, Rajiv K. / Lim, Mi Hee / Ramamoorthy, Ayyalusamy / Bhunia, Anirban et al. | 2016
- 16890
-
Biophysical insights into the membrane interaction of the core amyloid-forming Ab40 fragment K16-K28 and its role in the pathogenesis of Alzheimer's diseaseBera, S. / Korshavn, K. / Kar, R. / Lim, M. / Ramamoorthy, A. / Bhunia, A. et al. | 2016
- 16912
-
Nuclear magnetic resonance studies of DNP-ready trehalose obtained by solid state mechanochemical amorphizationFilibian, M. / Elisei, E. / Colombo Serra, S. / Rosso, A. / Tedoldi, F. / Cesàro, A. / Carretta, P. et al. | 2016
- 16921
-
Irradiation-induced grain growth and defect evolution in nanocrystalline zirconia with doped grain boundariesDey, Sanchita / Mardinly, John / Wang, Yongqiang / Valdez, James A. / Holesinger, Terry G. / Uberuaga, Blas P. / Ditto, Jeff J. / Drazin, John W. / Castro, Ricardo H. R. et al. | 2016
- 16930
-
Redox chemistry of a binary transition metal oxide (AB2O4): a study of the Cu2+/Cu0 and Fe3+/Fe0 interconversions observed upon lithiation in a CuFe2O4 battery using X-ray absorption spectroscopyCama, Christina A. / Pelliccione, Christopher J. / Brady, Alexander B. / Li, Jing / Stach, Eric A. / Wang, Jiajun / Wang, Jun / Takeuchi, Esther S. / Takeuchi, Kenneth J. / Marschilok, Amy C. et al. | 2016
- 16941
-
Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an ab initio based full-dimensional potential energy surfaceEspinosa-Garcia, J. / Rangel, C. / Corchado, J. C. et al. | 2016
- 16950
-
D–A–D–π–D–A–D type diketopyrrolopyrrole based small molecule electron donors for bulk heterojunction organic solar cellsPatil, Yuvraj / Misra, Rajneesh / Sharma, Abhishek / Sharma, Ganesh D. et al. | 2016
- 16950
-
D-A-D-p-D-A-D type diketopyrrolopyrrole based small molecule electron donors for bulk heterojunction organic solar cellsPatil, Y. / Misra, R. / Sharma, A. / Sharma, G. et al. | 2016
- 16958
-
Modeling the melting temperature of nanoscaled bimetallic alloysLi, Ming / Zhu, Tian-Shu et al. | 2016
- 16964
-
Chromophore interactions leading to different absorption spectra in mNeptune1 and mCardinal red fluorescent proteinsArmengol, Pau / Gelabert, Ricard / Moreno, Miquel / Lluch, José M. et al. | 2016
- 16964
-
Chromophore interactions leading to different absorption spectra in mNeptune1 and mCardinal red fluorescent proteinsElectronic supplementary information (ESI) available: Analysis of RMS of the MD simulation, time evolution of the planarity of the chromophore, changes in the atomic charges upon photoexcitation, dependence of the excitation energy of the chromophore on the distance of the electrophilic group, benchmarks of QM/MM excitation energies as a function of basis set and QM part size, the test of QM/MM excitations against the reference method, and force field parameters for the mNeptune1 and mCardinal chromophores. See DOI: 10.1039/c6cp01297cArmengol, Pau et al. | 2016
- 16977
-
Interface-mediation of lipid bilayer organization and dynamicsMize, Hannah E. / Blanchard, G. J. et al. | 2016
- 16986
-
Factors controlling the selectivity for Na+ over Mg2+ in sodium transporters and enzymesDudev, Todor / Mazmanian, Karine / Lim, Carmay et al. | 2016
- 16998
-
Catalytic conversion of CHx and CO2 on non-noble metallic impurities in grapheneTang, Yanan / Liu, Zhiyong / Chen, Weiguang / Ma, Dongwei / Chang, Shanshan / Dai, Xianqi et al. | 2016
- 17018
-
Dynamics of effusive and diffusive gas separation on pillared grapheneWesołowski, Radosław P. / Terzyk, Artur P. et al. | 2016
- 17024
-
Fabrication of gold microstructures using negative photoresists doped with gold ions through two-photon excitationNakamura, Ryotaro / Kinashi, Kenji / Sakai, Wataru / Tsutsumi, Naoto et al. | 2016
- 17044
-
Ultrafast dynamics of uracil and thymine studied using a sub-10 fs deep ultraviolet laserXue, Bing / Yabushita, Atsushi / Kobayashi, Takayoshi et al. | 2016
- 17062
-
Structural and relative energy assessments of DFT functionals and the MP2 method to describe the gas phase methylation of nitronates: [R1R2CNO2]− + CH3IMahmood, Ayyaz / Longo, Ricardo L. et al. | 2016
- 17071
-
The reaction mechanism for the SCR process on monomer V5+ sites and the effect of modified Bronsted acidityArnarson, L. / Falsig, H. / Rasmussen, S. / Lauritsen, J. / Moses, P. et al. | 2016
- 17071
-
The reaction mechanism for the SCR process on monomer V5+ sites and the effect of modified Brønsted acidityArnarson, Logi / Falsig, Hanne / Rasmussen, Søren B. / Lauritsen, Jeppe V. / Moses, Poul Georg et al. | 2016
- 17081
-
Tunneling spectra of graphene on copper unraveledZhang, Xin / Stradi, Daniele / Liu, Lei / Luo, Hong / Brandbyge, Mad / Gu, Gong et al. | 2016
-
Voltammetry of the aqueous complexation-dissociation coupled to transfer (ACDT) mechanism with charged ligandsMolina, Ángela et al. | 2016
- 17105
-
Photosensitized reactions initiated by 6-carboxypterin: singlet and triplet reactivityTinel, L. / Rossignol, S. / Ciuraru, R. / Dumas, S. / George, C. et al. | 2016
- 17117
-
Inside back cover| 2016
- 17118
-
Back cover| 2016
-
Tunneling spectra of graphene on copper unraveledElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp01572gZhang, Xin et al. | 2016
-
Structural and relative energy assessments of DFT functionals and the MP2 method to describe the gas phase methylation of nitronates: [R1R2CNO2]− + CH3IElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07833dMahmood, Ayyaz et al. | 2016
-
The reaction mechanism for the SCR process on monomer V5+ sites and the effect of modified Brønsted acidityElectronic supplementary information (ESI) available: Cartesian coordinates of the initial state structure set at 0 eV and used as a reference. List of frequencies used to calculate the Gibbs free energy. PDOS plots for V, Mo and W as substitutional dopants. See DOI: 10.1039/c6cp02274jArnarson, Logi et al. | 2016